5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde

C13H16ClNO2 — CID 114843991

IUPAC5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
SMILESCCC1COCCN1c1ccc(Cl)cc1C=O
InChIInChI=1S/C13H16ClNO2/c1-2-12-9-17-6-5-15(12)13-4-3-11(14)7-10(13)8-16/h3-4,7-8,12H,2,5-6,9H2,1H3
InChIKeyHVTBXXJTOZAKJD-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.77
Rot. Bonds3

About 5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde

5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde (PubChem CID 114843991) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
PubChem CID114843991
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
SMILESCCC1COCCN1c1ccc(Cl)cc1C=O
InChIInChI=1S/C13H16ClNO2/c1-2-12-9-17-6-5-15(12)13-4-3-11(14)7-10(13)8-16/h3-4,7-8,12H,2,5-6,9H2,1H3
InChIKeyHVTBXXJTOZAKJD-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 114843917
[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine
CID 63082825
4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine
CID 81152265
5-chloro-2-(3-ethylmorpholin-4-yl)benzenecarboximidamide
CID 62493254
(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 55183017
N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81146788
1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
CID 5325728
5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde
CID 114844521
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone
CID 43613288
(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939791
4-bromo-2-(3-ethylmorpholin-4-yl)aniline
CID 65343373
4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine
CID 104838831

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde?
The IUPAC name of 5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde (CID 114843991) is 5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde is CCC1COCCN1c1ccc(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde?
The InChIKey is HVTBXXJTOZAKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-2-12-9-17-6-5-15(12)13-4-3-11(14)7-10(13)8-16/h3-4,7-8,12H,2,5-6,9H2,1H3.
What are the key properties of 5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde?
5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde has a molecular weight of 253.73 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde is sourced from PubChem (CID 114843991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).